1-(4-chloro-5-methyl-1H-pyrazol-3-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine

C12H18ClN5O — CID 77089507

IUPAC1-(4-chloro-5-methyl-1H-pyrazol-3-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCc1[nH]nc(CN(C)Cc2noc(C(C)C)n2)c1Cl
InChIInChI=1S/C12H18ClN5O/c1-7(2)12-14-10(17-19-12)6-18(4)5-9-11(13)8(3)15-16-9/h7H,5-6H2,1-4H3,(H,15,16)
InChIKeyFDRUSUBYMJXURE-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.51
Rot. Bonds5

About 1-(4-chloro-5-methyl-1H-pyrazol-3-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine

1-(4-chloro-5-methyl-1H-pyrazol-3-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine (PubChem CID 77089507) has the molecular formula C12H18ClN5O and a molecular weight of 283.76 g/mol. Its IUPAC name is 1-(4-chloro-5-methyl-1H-pyrazol-3-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-chloro-5-methyl-1H-pyrazol-3-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
PubChem CID77089507
Molecular FormulaC12H18ClN5O
Molecular Weight283.76 g/mol
Exact Mass283.12
IUPAC Name1-(4-chloro-5-methyl-1H-pyrazol-3-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCc1[nH]nc(CN(C)Cc2noc(C(C)C)n2)c1Cl
InChIInChI=1S/C12H18ClN5O/c1-7(2)12-14-10(17-19-12)6-18(4)5-9-11(13)8(3)15-16-9/h7H,5-6H2,1-4H3,(H,15,16)
InChIKeyFDRUSUBYMJXURE-UHFFFAOYSA-N
XLogP2.51
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-5-methyl-1H-pyrazol-3-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(4-chloro-5-methyl-1H-pyrazol-3-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine (CID 77089507) is 1-(4-chloro-5-methyl-1H-pyrazol-3-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-chloro-5-methyl-1H-pyrazol-3-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(4-chloro-5-methyl-1H-pyrazol-3-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine is Cc1[nH]nc(CN(C)Cc2noc(C(C)C)n2)c1Cl.
What is the InChIKey of 1-(4-chloro-5-methyl-1H-pyrazol-3-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The InChIKey is FDRUSUBYMJXURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O/c1-7(2)12-14-10(17-19-12)6-18(4)5-9-11(13)8(3)15-16-9/h7H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 1-(4-chloro-5-methyl-1H-pyrazol-3-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
1-(4-chloro-5-methyl-1H-pyrazol-3-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine has a molecular weight of 283.76 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-5-methyl-1H-pyrazol-3-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine is sourced from PubChem (CID 77089507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).